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Molecule Identifiers
Molecular Properties

ID: 97357

SMILES:
C(CCCCO)c1cc(O)c2c(c1)OC(C)C1C2C=C(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.048

InChIKey:
BLMAZGPBWMDIDG-UHFFFAOYSA-N

ID: 97358

SMILES:
c1(C)c(O)c(CC=C(C)C)cc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.458

InChIKey:
FPIDZLPCJVSTLE-UHFFFAOYSA-N

ID: 97359

SMILES:
CC(O)(C=Cc1c(O)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.012

InChIKey:
DYBQEOSPSCEQHK-UHFFFAOYSA-N

ID: 97360

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)CCCC(CO)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.095

InChIKey:
PCYPUWVZMTYART-UHFFFAOYSA-N

ID: 97361

SMILES:
c12c(cc(CCCCC)cc1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.894

InChIKey:
RQOQOWJGKVZNGE-UHFFFAOYSA-N

ID: 97362

SMILES:
C(OCC)(c1c(CCCC)cc(O)c2c1OC13C(C(C)(C)OC1C=C(C)CC3)O2)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: Not available

InChIKey:
BVBUMXUTPFPQOV-UHFFFAOYSA-N

ID: 97363

SMILES:
Cc1cc2c(cc1)-c1c(cc(CCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -17.662

InChIKey:
XDMUITSUVXRYPV-UHFFFAOYSA-N

ID: 97364

SMILES:
CC(OC=C(O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -14.142

InChIKey:
IHCJGSBHCTZSGX-UHFFFAOYSA-N

ID: 97365

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(O)(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -19.691

InChIKey:
ZLYNXDIDWUWASO-UHFFFAOYSA-N

ID: 97366

SMILES:
CC1(C)Oc2c(O)c(C=O)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -17.26

InChIKey:
GQEOUNUXVQZIQP-UHFFFAOYSA-N

ID: 97367

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C=C1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.378

InChIKey:
FEHAYNTUCLJCLD-UHFFFAOYSA-N

ID: 97368

SMILES:
CC(=C)C1CC(C(=C)C)C(c2c(O)cc(CCCCC)c(O)c2)C(NCC(C)O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 415.618

CB1 binding score: -14.344

InChIKey:
GIZZYKYJKJWNKF-UHFFFAOYSA-N

ID: 97369

SMILES:
C(C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C2OC1C2)CC)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -16.307

InChIKey:
DJNPOHQFSJNZEK-UHFFFAOYSA-N

ID: 97370

SMILES:
CC1C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 97371

SMILES:
Oc1cc2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -18.202

InChIKey:
MEXBLNORPUBQPI-UHFFFAOYSA-N

ID: 97372

SMILES:
C(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(CC=C(C)C)c1O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -17.706

InChIKey:
UHYJRWCCMZMSFM-UHFFFAOYSA-N

ID: 97373

SMILES:
C(CCCc1cc(O)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)c1C(O)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 97374

SMILES:
c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.941

InChIKey:
ZDCBLFFMTXHWAN-UHFFFAOYSA-N

ID: 97375

SMILES:
O1CC(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.288

InChIKey:
NMJZVAJXOUJEIT-UHFFFAOYSA-N

ID: 97376

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.442

InChIKey:
FRBSLGKYEBNHLH-UHFFFAOYSA-N

ID: 97377

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

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97357–97377 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties